Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "85696f44156d410cb91e2df325a3a03e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.881,
"b": 167.127,
"c": 137.101,
"alpha": 90.00,
"beta": 92.47,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [167.130,2.970],
"number_observations": 315672,
"number_observations_unique": 62064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,2.970],
"number_observations": 24230,
"number_observations_unique": 4643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(meas)",
"value": 1.005
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [167.130,13.280],
"number_observations": 3448,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}